Laboratoire de Chimie et Physique Quantiques - UMR5626

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Agenda

• Visitors and newcomers

Former Members

Laboratory members

News

• "Understanding cluster physics" Symposium
• PCCP cover
• A new ERC fellow at the LCPQ !
• Amandine LAURENT
• At long last, an ERC grant in the LCPQ !
• CECAM Workshop : paramagnetic NMR of f elements
• CECAM workshop on Green’s function methods
• CECAM workshop on Green’s functions methods
• CECAM workshop on Tensor Contraction Library Standardization
• David Sanchez at the "Grand Labo"
• DIRAC 2020 meeting
• DIRAC new version
• DIRAC22 release (open source)
• Elise Lognon’s PhD defense
• Enzo Monino’s Ph. D. defense
• ESQC 2022
• ESQC2024
• Gabriele Riva’s PhD defense
• GDR NBODY Workshop
• Invited postdoctoral researcher : Thomas DANIEL
• Isabelle Dixon’s HDR defence
• J Chem Phys Editor’s choice
• Kick-off for ERC project HAMP-vQED
• LCPQ days
• Maen SALMAN’s PhD defense
• Martin van Horn’s PhD defense
• Maysa Yusef Buey’s PhD defense
• Micro-symposium on Dec. 13th
• Miguel Escobar Azor’s PhD defense
• Mini-symposium 9-10 December
• Mini-symposium on Correlated materials
• Molecular response properties summer school
• MRP Summer School 2025
• News on Astrochemistry and Qubits
• Peter Gill’s visit
• Roberto Orlando’s PhD defense
• Summer school in Pisa
• Summer school in Stockholm
• The T.REX project in "CNRS Le Journal"
• Toulouse Tensor Workshop
• Upcoming PhD defences
• Visitor : Gianluca Levi
• Workshop on model systems in quantum mechanics

Personal Web pages

Introduction

• The Laboratory
• Common Services
• Activity Reports
• Access

Teams

• THEO Group

  • Research Projects

    • Electronic correlation in localised orbitals
    • European research networks
    • Main collaborations
    • Méthodes Monte Carlo quantique (QMC)
    • Mixed density functional and ab-initio method
    • Relativistic effects
    • Software developpments for calculation

  • Group Members

  • Publications of the group

  • GMO Seminars

    • GMO Seminars

• Modelling, Aggregates, Dynamics (MAD)

  • Research Projects

    • Development of quasi ab-initio approach for cluster study

      • Development of quasi ab-initio approach for cluster study

    • Excited states dynamics

      • Excited States Dynamics: Mixed Quantum Approaches under Laser Field

    • Structur and Dynamics of Water Clusters

      • Structure and Dynamics of Water Clusters

    • Spectroscopy and dynamics of excited chromophores on noble gas clusters

      • Spectroscopy and dynamics of excited chromophores on noble gas clusters

    • Carbonated Nanoparticles of Astrophysical Interest

      • Carbonated Nanoparticles of Astrophysical Interest

    • Carbonated Cluster Fragmentation induced by collision

      • Carbonated Cluster Fragmentation induced by collisions

    • Non-Adiabatic Dynamics of Ionised Noble Gas Clusters

      • Non-Adiabatic Dynamics of Ionised Noble Gas Clusters

    • Study of Aqueous Systems in Condensed Matter

      • Study of Aqueous Systems in Condensed Matter

    • Modeling of Molecular systems in Agron Matrix

      • Modeling of Molecular systems in Agron Matrix

    • Atomic Simulation for the study of the interaction of pesticides with soil minerals

      • Atomic Simulation for the study of the interaction of pesticides with soil mineral

    • Study of Molecule Reativity on Clusters

      • Study of Molecule Reativity on Clusters

  • Team members

  • Publications of the team

• Theoretical and Computational Photochemistry (PTC)

  • Research projects

    • Iron cyclometallated complexes

      • Iron cyclometallated complexes

    • Ligand photorelease mechanisms in ruthenium complexes

      • Ligand photorelease mechanisms in ruthenium complexes

    • PAH

      • Photophysics of PAH monocations

    • Photoisomerization of ruthenium nitrosyl complexes

      • Photoisomerization of ruthenium nitrosyl complexes

  • Team members

  • Publications of the team

• Extended Systems and Magnetism (SEM)

  • Research projects

    • Collective properties of magnetic systems

      • Collective properties of magnetic systems
      • Collective properties of magnetic systems

    • Magnetics properties of polyoxometalates ions

      • Propriétés magnétiques des ions polyoxométalates

  • Team members

  • Publications of the team

Publications

• Peer reviewed papers

  • Methods and tools of quantum Chemistry (GMO)

    • Publications of the GMO team

  • Modelisation, clusters, dynamic (MAD)

    • Publications of the MAD team

  • Theoretical and Computational Photochemistry (PhotoTeC)

    • Publications of the PhotoTeC team

  • Extended system and magnetism (SEM)

    • Publications of the SEM team

• PhD thesis & HDR

  • PhD thesis & HDR

• Publications by year

  • Year 2024

  • Year 2023

  • Year 2022

  • Year 2021

  • Year 2020

  • Year 2019

  • Year 2018

  • Year 2017

  • Year 2016

  • Year 2015

  • Year 2014

  • Year 2013

  • Year 2012

  • Year 2011

  • Year 2010

  • Year 2009

  • Year 2008

  • Year 2007

  • Previous year 2007

Codes & Clusters

• Computational Resources

  • Computational Resources

• Computational Softwares

  • Computational Softwares

Seminars

Science and Networks

• Visitors

• Link to BibCNRS

  • BibCNRS